/* Portions copyright (c) 2006 Stanford University and Simbios. * Contributors: Pande Group * * Permission is hereby granted, free of charge, to any person obtaining * a copy of this software and associated documentation files (the * "Software"), to deal in the Software without restriction, including * without limitation the rights to use, copy, modify, merge, publish, * distribute, sublicense, and/or sell copies of the Software, and to * permit persons to whom the Software is furnished to do so, subject * to the following conditions: * * The above copyright notice and this permission notice shall be included * in all copies or substantial portions of the Software. * * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS * OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF * MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. * IN NO EVENT SHALL THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE * LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION * OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION * WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. */ #ifndef __SimTKOpenMMCommon_H__ #define __SimTKOpenMMCommon_H__ // include file containing entries commonly used // STL includes #include #include #include #include // generic c includes #include #include #include #include #include #include // --------------------------------------------------------------------------------------- #include "SimTKOpenMMRealType.h" #include "SimTKOpenMMWindowLinux.h" // --------------------------------------------------------------------------------------- typedef std::vector IntVector; typedef IntVector::iterator IntVectorI; typedef IntVector::const_iterator IntVectorCI; typedef IntVector::reverse_iterator IntVectorRI; typedef IntVector::const_reverse_iterator IntVectorCRI; typedef std::map IntIntMap; typedef IntIntMap::iterator IntIntMapI; typedef IntIntMap::const_iterator IntIntMapCI; typedef std::set IntSet; typedef IntSet::iterator IntSetI; typedef IntSet::const_iterator IntSetCI; typedef std::vector IntSetVector; typedef IntSetVector::iterator IntSetVectorI; typedef IntSetVector::const_iterator IntSetVectorCI; typedef std::multiset IntMultiSet; typedef IntMultiSet::iterator IntMultiSetI; typedef IntMultiSet::const_iterator IntMultiSetCI; typedef std::vector StringVector; typedef StringVector::iterator StringVectorI; typedef StringVector::const_iterator StringVectorCI; typedef std::map StringStringMap; typedef StringStringMap::iterator StringStringMapI; typedef StringStringMap::const_iterator StringStringMapCI; typedef std::vector RealOpenMMVector; typedef RealOpenMMVector::iterator RealOpenMMVectorI; typedef RealOpenMMVector::const_iterator RealOpenMMVectorCI; typedef std::vector RealOpenMMPtrVector; typedef RealOpenMMPtrVector::iterator RealOpenMMPtrVectorI; typedef RealOpenMMPtrVector::const_iterator RealOpenMMPtrVectorCI; typedef std::vector RealOpenMMPtrPtrVector; typedef RealOpenMMPtrPtrVector::iterator RealOpenMMPtrPtrVectorI; typedef RealOpenMMPtrPtrVector::const_iterator RealOpenMMPtrPtrVectorCI; typedef std::map StringRealOpenMMMap; typedef StringRealOpenMMMap::iterator StringRealOpenMMMapI; typedef StringRealOpenMMMap::const_iterator StringRealOpenMMMapCI; typedef std::map StringIntMap; typedef StringIntMap::iterator StringIntMapI; typedef StringIntMap::const_iterator StringIntMapCI; // --------------------------------------------------------------------------------------- class SimTKOpenMMCommon { public: static const std::string NotSet; static const RealOpenMM BigCutoffValue; static const std::string Comment; static const std::string Tab; static const std::string YesU; static const std::string YesUl; static const std::string YesL; // subroutine returns static const int DefaultReturn; static const int ErrorReturn; // units static const int MdUnits; static const int KcalAngUnits; // specify RealOpenMM number format static const int HighStringStreamNumberWidth; static const int HighStringStreamNumberPrecision; static const RealOpenMM DegreeToRadians; /**--------------------------------------------------------------------------------------- Get string w/ minimum desired width @param inputString input string @param desiredSize minimum desired size of output string @param spacer string to append to inputString to get desired width (" ") @return DefaultReturn --------------------------------------------------------------------------------------- */ static std::string getSpacedString( const std::string&, int desiredSize = 25, const std::string& spacer = " " ); }; // --------------------------------------------------------------------------------------- // StringComparisonForMap: used to compare strings in STL maps w/ strings as keys #ifndef StringComparisonForMapPtrBlcok #define StringComparisonForMapPtrBlcok // above define should be removed once CommonTk is removed class StringComparisonForMapPtr : public std::binary_function< std::string*, std::string*, bool > { public: bool operator()( const std::string* str1, const std::string* str2 ) const { return strcmp( str1->c_str(), str2->c_str() ) < 0; } }; class StringComparisonForMap : public std::binary_function< const std::string&, const std::string&, bool > { public: bool operator()( const std::string& str1, const std::string& str2 ) const { return strcmp( str1.c_str(), str2.c_str() ) < 0; } }; #endif // --------------------------------------------------------------------------------------- // Used to compare integers for sorting, ... int numericCompareI( const void* point1, const void* point2 ); // --------------------------------------------------------------------------------------- // string-string map and iterator definitions typedef std::map StringMap; typedef StringMap::iterator StringMapI; typedef StringMap::const_iterator StringMapCI; // string set and iterator definitions typedef std::set StringSet; typedef StringSet::iterator StringSetI; typedef StringSet::const_iterator StringSetCI; // --------------------------------------------------------------------------------------- #endif // __SimTKOpenMMCommon_H__